SCHEMBL9738614

SCHEMBL9738614

O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2cnc([N+](=O)[O-])c([N+](=O)[O-])c2Nc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.48
MAPT P10636 6/20 0.48
LMNA P02545 3/20 0.48
KDM4E B2RXH2 2/20 0.48
NPC1 O15118 1/20 0.48
MITF O75030 1/20 0.48
RAB9A P51151 1/20 0.48
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
HSP90AA1 P07900 1/20 0.39
AHR P35869 1/20 0.39
TDP1 Q9NUW8 3/20 0.38
MAPK1 P28482 7/20 0.37
HTT P42858 2/20 0.37
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
XBP1 P17861 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TTR P02766 1/20 0.35
CYP1A2 P05177 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2218947 0.78 ALDH1A1 (0.59) ALDH1A1MAPTLMNAKDM4ENPC1
SCHEMBL11543051 0.76 ALDH1A1 (0.57) ALDH1A1MAPTLMNAKDM4ENPC1
SCHEMBL5712997 0.76 ALDH1A1 (0.57) ALDH1A1MAPTLMNAKDM4ENPC1
SCHEMBL5712996 0.76 ALDH1A1 (0.57) ALDH1A1MAPTLMNAKDM4ENPC1
Potassium Ion SCHEMBL11543057 0.76 ALDH1A1 (0.57) ALDH1A1MAPTLMNAKDM4ENPC1
SCHEMBL17203058 0.75 ALDH1A1 (0.49) ALDH1A1MAPTLMNAKDM4ENPC1
SCHEMBL3452697 0.74 MAPT (0.45) ALDH1A1MAPTLMNAKDM4ENPC1
SCHEMBL3452960 0.74 AHR (0.59) ALDH1A1MAPTLMNAKDM4ENPC1
SCHEMBL8078061 0.74 ALDH1A1 (0.53) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL11237513 0.73 MAPT (0.51) ALDH1A1MAPTLMNAKDM4ENPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5149911-A Flexible sheet explosive THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1992-09-22 US disclosed